SCHEMBL7127952

SCHEMBL7127952

COc1ccc(CN2Cc3ccccc3CC2CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
OPRM1 P35372 1/20 0.46
HRH2 P25021 1/20 0.43
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HTR2A P28223 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6920539 0.79 HTR1A (0.50) SIGMAR1OPRM1
SCHEMBL29538605 0.78 HDAC8 (0.49) SIGMAR1HRH2
SCHEMBL6920302 0.77 HDAC8 (0.53) SIGMAR1OPRM1MEN1GAAKMT2A
SCHEMBL6919160 0.77 OPRM1 (0.51) OPRM1
SCHEMBL32677229 0.75 OPRM1 (0.37) OPRM1HTR2A
SCHEMBL28301774 0.74 LMNA (0.43) SIGMAR1OPRM1
SCHEMBL29538848 0.74 LMNA (0.43) SIGMAR1OPRM1
SCHEMBL6820388 0.73 HDAC8 (0.48)
SCHEMBL17231981 0.73 SIGMAR1 (0.49) SIGMAR1HRH2MEN1APAF1GAA
SCHEMBL29538556 0.71 ADORA2A (0.44) SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041816-A1 AZACYCLIC COMPOUNDS AS OREXIN RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2004-05-21 WO disclosed